![2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile structure](/static/products/6448/64481-44-3.webp)
2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile
TL;DR: 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile (CAS 64481-44-3) is a chemical compound with molecular formula C10H7N3O and molecular weight 185.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1H-benzimidazol-2-yl)-3-hydroxyprop-2-enenitrile
Also Known As: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxopropanenitrile, 2-(1,3-dihydrobenzoimidazol-2-ylidene)-3-oxo-propanenitrile, 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile, Propanenitrile, 2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxo- (9CI), Propanenitrile, 2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxo-
| Molecular Formula | C10H7N3O |
|---|---|
| Molecular Weight | 185.06 g/mol |
| LogP | 1.98538 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.05891 |
| Heavy Atoms | 14 |
| Complexity | 500.53583 |
Chemical Identifiers
| CAS Number | 64481-44-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)/C(=C/O)/C#N |
Product Overview
2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile (CAS 64481-44-3), with molecular formula C10H7N3O and molecular weight 185.06 g/mol. IUPAC: (E)-2-(1H-benzimidazol-2-yl)-3-hydroxyprop-2-enenitrile.
Chemical Property Profile of 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile
Property Insights of 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile
The XLogP value of 1.98538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile. Following Lipinski's Rule of Five, 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile?
The CAS number of 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile is 64481-44-3.
What is the molecular formula of 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile?
The molecular formula of 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile is C10H7N3O.
What is the molecular weight of 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile?
The molecular weight of 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile is 185.06 g/mol.
Where can I buy 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile?
You can request a quote for 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Benzo[d]imidazol-2(3H)-ylidene)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.